Cyclohexadecen-1-one

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  • Identifiers

    CAS number
    88642-03-9

    Molecular formula
    C16H28O

    SMILES
    C1CCCCCCC=CC(=O)CCCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Musk 86.08%
    Animal 62.93%
    Powdery 59.14%
    Amber 45.51%
    Dry 41.54%
    Natural 39.95%
    Clean 36.63%
    Balsamic 35.45%
    Floral 32.91%
    Warm 32.88%

     

    Flavor
    Animal 29.46%
    Minty 27.46%
    Fruity 26.34%
    Shrimp 22.28%
    Camphor 21.28%
    Alkaline 19.9%
    Musk 19.53%
    Terpentine 19.42%
    Beet 19.2%
    Soil 19.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    9.56 (weak base)

    Molecular weight
    236.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 149.65 ˚C est.

  • Synonyms

    • 88642-03-9
    • Cyclohexadec-2-en-1-one
    • cyclohexadecen-1-one
    • DTXSID00706398
    • DAZYFPVYDAKNQJ-UHFFFAOYSA-N
    • 687-582-5

  • Applications

    Cyclohexadecen-1-one (CAS 88642-03-9) is a macrocyclic ketone primarily used as a fragrance ingredient and fixative. In perfumery it contributes musk-like, woody notes and helps stabilize and prolong aroma performance; it is commonly employed in high-end fragrances and scented personal-care formulations. It is also used as an odorant in household products such as cleaners and air fresheners, providing a long-lasting fragrance while remaining within typical concentration ranges. In cosmetics and personal care, it functions as a fragrance ingredient in lotions, shampoos, and soaps, subject to regulatory limits. Additionally, it can serve as an intermediate in fragrance synthesis for related musk-type aromas, and may be evaluated for use in coatings, inks and other industrial scent applications, depending on regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 304.28
    methanol 172.07
    isopropanol 397.76
    water 0.01
    ethyl acetate 1258.31
    n-propanol 400.36
    acetone 1277.4
    n-butanol 454.1
    acetonitrile 503.7
    DMF 1363.5
    toluene 843.93
    isobutanol 374.65
    1,4-dioxane 1317.06
    methyl acetate 743.96
    THF 2616.54
    2-butanone 1085.32
    n-pentanol 304.84
    sec-butanol 416.42
    n-hexane 415.17
    ethylene glycol 23.8
    NMP 1477.54
    cyclohexane 887.28
    DMSO 1132.23
    n-butyl acetate 1189.76
    n-octanol 255.81
    chloroform 2995.62
    n-propyl acetate 944.46
    acetic acid 361.21
    dichloromethane 2687.02
    cyclohexanone 2271.34
    propylene glycol 75.12
    isopropyl acetate 1033.66
    DMAc 1057.84
    2-ethoxyethanol 376.43
    isopentanol 507.21
    n-heptane 323.85
    ethyl formate 484.22
    1,2-dichloroethane 1979.98
    n-hexanol 426.09
    2-methoxyethanol 569.62
    isobutyl acetate 661.46
    tetrachloromethane 560.9
    n-pentyl acetate 927.18
    transcutol 2353.84
    n-heptanol 244.73
    ethylbenzene 464.74
    MIBK 855.54
    2-propoxyethanol 611.75
    tert-butanol 588.1
    MTBE 962.2
    2-butoxyethanol 478.05
    propionic acid 411.52
    o-xylene 509.4
    formic acid 44.3
    diethyl ether 1221.64
    m-xylene 544.01
    p-xylene 572.59
    chlorobenzene 1144.36
    dimethyl carbonate 312.01
    n-octane 102.16
    formamide 103.1
    cyclopentanone 2320.21
    2-pentanone 1289.52
    anisole 689.93
    cyclopentyl methyl ether 1571.84
    gamma-butyrolactone 2053.8
    1-methoxy-2-propanol 626.51
    pyridine 1674.68
    3-pentanone 1020.74
    furfural 1445.97
    n-dodecane 52.38
    diethylene glycol 245.14
    diisopropyl ether 553.65
    tert-amyl alcohol 505.1
    acetylacetone 1347.34
    n-hexadecane 65.5
    acetophenone 672.55
    methyl propionate 844.49
    isopentyl acetate 1024.67
    trichloroethylene 3189.06
    n-nonanol 249.78
    cyclohexanol 801.39
    benzyl alcohol 399.06
    2-ethylhexanol 418.11
    isooctanol 261.16
    dipropyl ether 1083.91
    1,2-dichlorobenzene 1082.88
    ethyl lactate 288.71
    propylene carbonate 1163.26
    n-methylformamide 372.2
    2-pentanol 465.97
    n-pentane 270.07
    1-propoxy-2-propanol 664.45
    1-methoxy-2-propyl acetate 905.49
    2-(2-methoxypropoxy) propanol 467.75
    mesitylene 407.37
    ε-caprolactone 1584.27
    p-cymene 312.83
    epichlorohydrin 2013.76
    1,1,1-trichloroethane 2038.76
    2-aminoethanol 95.17
    morpholine-4-carbaldehyde 1217.67
    sulfolane 2298.56
    2,2,4-trimethylpentane 112.86
    2-methyltetrahydrofuran 1865.45
    n-hexyl acetate 980.71
    isooctane 104.37
    2-(2-butoxyethoxy)ethanol 688.57
    sec-butyl acetate 719.17
    tert-butyl acetate 1048.67
    decalin 275.6
    glycerin 112.36
    diglyme 1377.69
    acrylic acid 294.24
    isopropyl myristate 401.71
    n-butyric acid 896.89
    acetyl acetate 732.62
    di(2-ethylhexyl) phthalate 254.07
    ethyl propionate 852.93
    nitromethane 790.53
    1,2-diethoxyethane 1264.2
    benzonitrile 727.58
    trioctyl phosphate 202.96
    1-bromopropane 1372.03
    gamma-valerolactone 2133.32
    n-decanol 177.94
    triethyl phosphate 387.75
    4-methyl-2-pentanol 308.39
    propionitrile 664.3
    vinylene carbonate 862.78
    1,1,2-trichlorotrifluoroethane 1116.32
    DMS 645.01
    cumene 300.44
    2-octanol 224.74
    2-hexanone 868.62
    octyl acetate 444.88
    limonene 554.36
    1,2-dimethoxyethane 1061.45
    ethyl orthosilicate 385.34
    tributyl phosphate 290.61
    diacetone alcohol 735.89
    N,N-dimethylaniline 462.52
    acrylonitrile 681.65
    aniline 713.42
    1,3-propanediol 226.53
    bromobenzene 1416.19
    dibromomethane 1970.03
    1,1,2,2-tetrachloroethane 2874.0
    2-methyl-cyclohexyl acetate 653.99
    tetrabutyl urea 375.86
    diisobutyl methanol 331.28
    2-phenylethanol 401.89
    styrene 613.09
    dioctyl adipate 536.65
    dimethyl sulfate 524.08
    ethyl butyrate 965.74
    methyl lactate 289.28
    butyl lactate 500.34
    diethyl carbonate 556.23
    propanediol butyl ether 379.51
    triethyl orthoformate 670.06
    p-tert-butyltoluene 298.99
    methyl 4-tert-butylbenzoate 610.56
    morpholine 1552.73
    tert-butylamine 476.49
    n-dodecanol 140.62
    dimethoxymethane 858.17
    ethylene carbonate 840.4
    cyrene 390.76
    2-ethoxyethyl acetate 891.88
    2-ethylhexyl acetate 857.71
    1,2,4-trichlorobenzene 1168.61
    4-methylpyridine 1501.14
    dibutyl ether 925.36
    2,6-dimethyl-4-heptanol 331.28
    DEF 1328.73
    dimethyl isosorbide 904.13
    tetrachloroethylene 1827.01
    eugenol 440.93
    triacetin 827.7
    span 80 498.42
    1,4-butanediol 80.36
    1,1-dichloroethane 1875.39
    2-methyl-1-pentanol 331.4
    methyl formate 282.61
    2-methyl-1-butanol 434.8
    n-decane 110.1
    butyronitrile 786.41
    3,7-dimethyl-1-octanol 349.26
    1-chlorooctane 412.48
    1-chlorotetradecane 148.34
    n-nonane 118.96
    undecane 71.27
    tert-butylcyclohexane 202.5
    cyclooctane 285.7
    cyclopentanol 712.15
    tetrahydropyran 2100.61
    tert-amyl methyl ether 756.8
    2,5,8-trioxanonane 834.55
    1-hexene 776.52
    2-isopropoxyethanol 368.56
    2,2,2-trifluoroethanol 137.35
    methyl butyrate 1090.46

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.43 % Category 7A
Rinse-off products applied to the hair with some hand contact
 3.5 %
Category 2
Products applied to the axillae
 0.23 % Category 7B
Leave-on products applied to the hair with some hand contact
 3.5 %
Category 3
Products applied to the face/body using fingertips
 2.2 % Category 8
Products with significant anogenital exposure
 0.14 %
Category 4
Products related to fine fragrance
 4.3 % Category 9
Products with body and hand exposure, primarily rinse off
 8.4 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 1.1 % Category 10A
Household care products with mostly hand contact
 7.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 1.1 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 30 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.43 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.14 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.14 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.14 %
Category 6
Products with oral and lip exposure
 0.43 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction